1-[3-[ethoxy(dimethyl)silyl]propoxy]-3-[3-[[3-[3-[ethoxy(dimethyl)silyl]propoxy]-2-hydroxypropyl]-ethylamino]propyl-ethylamino]propan-2-ol

C27H62N2O6Si2 — CID 90049051

IUPAC1-[3-[ethoxy(dimethyl)silyl]propoxy]-3-[3-[[3-[3-[ethoxy(dimethyl)silyl]propoxy]-2-hydroxypropyl]-ethylamino]propyl-ethylamino]propan-2-ol
SMILESCCO[Si](C)(C)CCCOCC(O)CN(CC)CCCN(CC)CC(O)COCCC[Si](C)(C)OCC
InChIInChI=1S/C27H62N2O6Si2/c1-9-28(22-26(30)24-32-18-14-20-36(5,6)34-11-3)16-13-17-29(10-2)23-27(31)25-33-19-15-21-37(7,8)35-12-4/h26-27,30-31H,9-25H2,1-8H3
InChIKeyWKIWQFBDWORSAA-UHFFFAOYSA-N
MW566.97 g/mol
LogP4.04
Rot. Bonds26

About 1-[3-[ethoxy(dimethyl)silyl]propoxy]-3-[3-[[3-[3-[ethoxy(dimethyl)silyl]propoxy]-2-hydroxypropyl]-ethylamino]propyl-ethylamino]propan-2-ol

1-[3-[ethoxy(dimethyl)silyl]propoxy]-3-[3-[[3-[3-[ethoxy(dimethyl)silyl]propoxy]-2-hydroxypropyl]-ethylamino]propyl-ethylamino]propan-2-ol (PubChem CID 90049051) has the molecular formula C27H62N2O6Si2 and a molecular weight of 566.97 g/mol. Its IUPAC name is 1-[3-[ethoxy(dimethyl)silyl]propoxy]-3-[3-[[3-[3-[ethoxy(dimethyl)silyl]propoxy]-2-hydroxypropyl]-ethylamino]propyl-ethylamino]propan-2-ol.

Molecular Properties

Compound Name1-[3-[ethoxy(dimethyl)silyl]propoxy]-3-[3-[[3-[3-[ethoxy(dimethyl)silyl]propoxy]-2-hydroxypropyl]-ethylamino]propyl-ethylamino]propan-2-ol
PubChem CID90049051
Molecular FormulaC27H62N2O6Si2
Molecular Weight566.97 g/mol
Exact Mass566.41
IUPAC Name1-[3-[ethoxy(dimethyl)silyl]propoxy]-3-[3-[[3-[3-[ethoxy(dimethyl)silyl]propoxy]-2-hydroxypropyl]-ethylamino]propyl-ethylamino]propan-2-ol
SMILESCCO[Si](C)(C)CCCOCC(O)CN(CC)CCCN(CC)CC(O)COCCC[Si](C)(C)OCC
InChIInChI=1S/C27H62N2O6Si2/c1-9-28(22-26(30)24-32-18-14-20-36(5,6)34-11-3)16-13-17-29(10-2)23-27(31)25-33-19-15-21-37(7,8)35-12-4/h26-27,30-31H,9-25H2,1-8H3
InChIKeyWKIWQFBDWORSAA-UHFFFAOYSA-N
XLogP4.04
TPSA83.86 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds26
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500566.97
LogP ≤ 54.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

1-[3-[ethoxy(dimethyl)silyl]propoxy]-3-[methyl(prop-2-enyl)amino]propan-2-ol
CID 90428917
1-[6-[bis(3-dodecoxy-2-hydroxypropyl)amino]hexyl-(3-dodecoxy-2-hydroxypropyl)amino]-3-dodecoxypropan-2-ol
CID 170444415
1-[3-(diethylamino)propyl-ethylamino]-3-propan-2-yloxypropan-2-ol
CID 102995834
3-[ethoxy(dimethyl)silyl]-N,N-dipropylpropan-1-amine
CID 87204397
1-chloro-3-[3-[diethoxy(methyl)silyl]propoxy]propan-2-ol
CID 139948642
1-[bis(3-methylbutyl)amino]-3-butoxypropan-2-ol
CID 107870717
1-[bis(2-methoxyethyl)amino]-3-butoxypropan-2-ol
CID 107263774
1-[2-aminoethyl-[2-hydroxy-3-(3-trihydroxysilylpropoxy)propyl]amino]-3-(3-trihydroxysilylpropoxy)propan-2-ol
CID 58412214
1-butoxy-3-[2-[3-[[[3-[2-(3-butoxy-2-hydroxypropoxy)ethoxy]propyl-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propoxy]ethoxy]propan-2-ol
CID 59187881
1-[6-[bis[3-(2-ethylhexoxy)-2-hydroxypropyl]amino]hexyl-[3-(2-ethylhexoxy)-2-hydroxypropyl]amino]-3-(3-trihydroxysilylpropoxy)propan-2-ol
CID 58412184
1-butoxy-3-[2-hydroxyethyl(propyl)amino]propan-2-ol
CID 107263779
1-[butyl(dimethyl)silyl]oxy-3-[2-(2-hydroxyethoxy)ethoxy]propan-2-ol
CID 87946717

Frequently Asked Questions

What is the IUPAC name of 1-[3-[ethoxy(dimethyl)silyl]propoxy]-3-[3-[[3-[3-[ethoxy(dimethyl)silyl]propoxy]-2-hydroxypropyl]-ethylamino]propyl-ethylamino]propan-2-ol?
The IUPAC name of 1-[3-[ethoxy(dimethyl)silyl]propoxy]-3-[3-[[3-[3-[ethoxy(dimethyl)silyl]propoxy]-2-hydroxypropyl]-ethylamino]propyl-ethylamino]propan-2-ol (CID 90049051) is 1-[3-[ethoxy(dimethyl)silyl]propoxy]-3-[3-[[3-[3-[ethoxy(dimethyl)silyl]propoxy]-2-hydroxypropyl]-ethylamino]propyl-ethylamino]propan-2-ol.
What is the SMILES notation for 1-[3-[ethoxy(dimethyl)silyl]propoxy]-3-[3-[[3-[3-[ethoxy(dimethyl)silyl]propoxy]-2-hydroxypropyl]-ethylamino]propyl-ethylamino]propan-2-ol?
The canonical SMILES for 1-[3-[ethoxy(dimethyl)silyl]propoxy]-3-[3-[[3-[3-[ethoxy(dimethyl)silyl]propoxy]-2-hydroxypropyl]-ethylamino]propyl-ethylamino]propan-2-ol is CCO[Si](C)(C)CCCOCC(O)CN(CC)CCCN(CC)CC(O)COCCC[Si](C)(C)OCC.
What is the InChIKey of 1-[3-[ethoxy(dimethyl)silyl]propoxy]-3-[3-[[3-[3-[ethoxy(dimethyl)silyl]propoxy]-2-hydroxypropyl]-ethylamino]propyl-ethylamino]propan-2-ol?
The InChIKey is WKIWQFBDWORSAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H62N2O6Si2/c1-9-28(22-26(30)24-32-18-14-20-36(5,6)34-11-3)16-13-17-29(10-2)23-27(31)25-33-19-15-21-37(7,8)35-12-4/h26-27,30-31H,9-25H2,1-8H3.
What are the key properties of 1-[3-[ethoxy(dimethyl)silyl]propoxy]-3-[3-[[3-[3-[ethoxy(dimethyl)silyl]propoxy]-2-hydroxypropyl]-ethylamino]propyl-ethylamino]propan-2-ol?
1-[3-[ethoxy(dimethyl)silyl]propoxy]-3-[3-[[3-[3-[ethoxy(dimethyl)silyl]propoxy]-2-hydroxypropyl]-ethylamino]propyl-ethylamino]propan-2-ol has a molecular weight of 566.97 g/mol, XLogP of 4.04, 26 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[ethoxy(dimethyl)silyl]propoxy]-3-[3-[[3-[3-[ethoxy(dimethyl)silyl]propoxy]-2-hydroxypropyl]-ethylamino]propyl-ethylamino]propan-2-ol is sourced from PubChem (CID 90049051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).